CID 6509882

6h-benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime

Structural Information

Molecular Formula
C13H17NO4
SMILES
COC1=C(C(=C2C/C(=N\O)/CCCC2=C1)O)OC
InChI
InChI=1S/C13H17NO4/c1-17-11-6-8-4-3-5-9(14-16)7-10(8)12(15)13(11)18-2/h6,15-16H,3-5,7H2,1-2H3/b14-9-
InChIKey
ZAWMFRNLJVIEGY-ZROIWOOFSA-N
Compound name
(6Z)-6-hydroxyimino-2,3-dimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11575 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 151.2
[M+Na]+ 274.104968 156.9
[M-H]- 250.108474 155.9
[M+NH4]+ 269.149573 167.9
[M+K]+ 290.078908 160.0
[M+H-H2O]+ 234.113010 146.2
[M+HCOO]- 296.113951 171.3
[M+CH3COO]- 310.129601 196.4
[M+Na-2H]- 272.090416 155.6
[M]+ 251.11520142 149.4
[M]- 251.11629858 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.